Compound Detail
CHEMBL6008476
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C=CC(=O)NC1CCC(c2ccc([C@@H](C)C(=O)Nc3cc(C4CC4)n[nH]3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL6008476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUDPXOAJUACLFI-MYWSLZCHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.36
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 CHEMBL1795192 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Cyclin-dependent kinase 12 CHEMBL3559692 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.26 | 5.26 | 5492.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 | IC50 | = | 18.0 | nM | 7.75 | Biochemical Assay for CDK13: LanthaScreen Eu Kinase Binding Assays are based on ... | - |
| Cyclin-dependent kinase 12 | IC50 | = | 740.0 | nM | 6.13 | Biochemical Assay for CDK12 (IC50 Determination): The inhibitory activity of the... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 5492.0 | nM | 5.26 | Biochemical Assay for CDK7: The inhibitory activity of the test compounds was as... | - |
Data from ChEMBL 36 via Core Engine